Cation-{pi}-interaction promoted aggregation of aromatic molecules and energy transfer within Y zeolites
Photophysical studies of naphthalene confirm that aromatic molecules tend to aggregate within cation exchanged Y zeolites. Ground-state aggregation is traced to the presence of cation-aromatic {pi}-interaction. Solvents that can coordinate to the cation turn off the cation-aromatic interaction, and consequently aggregation does not occur in zeolites that are impregnated with the above solvents. The solvent that exhibits a maximum in such an effect is water. MP2 calculations on cation-benzene dimer indicate that cation-{pi}-interaction results in stabilization of the {pi}-stacked benzene dimer. Results of MP2 calculations are consistent with the formation of ground-state {pi}-stacked aggregates of naphthalene molecules within Y zeolites.
- Research Organization:
- Tulane Univ., New Orleans, LA (US)
- Sponsoring Organization:
- US Department of Energy
- OSTI ID:
- 20080285
- Journal Information:
- Langmuir, Journal Name: Langmuir Journal Issue: 11 Vol. 16; ISSN LANGD5; ISSN 0743-7463
- Country of Publication:
- United States
- Language:
- English
Similar Records
Selective oxidation of olefins within organic dye cation-exchanged zeolites
A quantum chemistry study of the van der Waals dimers of benzene, naphthalene, and anthracene: Crossed (D{sub 2d}) and parallel-displaced (C{sub 2h}) dimers of very similar energies in the linear polyacenes